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Bump MUSCLE to 5.2 #51881

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merged 2 commits into from
Nov 3, 2024
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Merged

Bump MUSCLE to 5.2 #51881

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40aa501
Bump MUSCLE to 5.2
apcamargo Nov 2, 2024
22bbdee
Update recipes/muscle/build.sh
apcamargo Nov 3, 2024
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19 changes: 14 additions & 5 deletions recipes/muscle/build.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,9 +1,18 @@
#!/bin/bash
set -e

cd src/
sed -i.bak -e 's/ -static//' Makefile
mkdir -p ${PREFIX}/bin
cd src || exit 1
echo "0" > gitver.txt

make CXX=$CXX
cp ${RECIPE_DIR}/vcxproj_make.py .
chmod +x vcxproj_make.py
./vcxproj_make.py --openmp --cppcompiler ${CXX}

mkdir -p "$PREFIX"/bin
cp "$(uname)"/muscle "$PREFIX"/bin/muscle
# Verify binary exists and is executable
if [ ! -x ../bin/muscle ]; then
echo "Error: muscle binary not found"
exit 1
fi

cp ../bin/muscle ${PREFIX}/bin/muscle
10 changes: 5 additions & 5 deletions recipes/muscle/meta.yaml
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Original file line number Diff line number Diff line change
@@ -1,18 +1,18 @@
{% set name = "muscle" %}
{% set version = "5.1.0" %}
{% set version = "5.2" %}

package:
name: {{ name|lower }}
version: {{ version }}

source:
url: https://github.com/rcedgar/muscle/archive/refs/tags/{{ version }}.tar.gz
sha256: 2bba8b06e3ccabf6465fa26f459763b2029d7e7b9596881063e3aaba60d9e87d
url: https://github.com/rcedgar/muscle/archive/refs/tags/v{{ version }}.tar.gz
sha256: 7aff1473241a36da94a88f37920a343fae91d2b6faae22e15c06591d1d0339b6
patches:
- support-linux-aarch64.patch

build:
number: 1
number: 0
run_exports:
- {{ pin_subpackage(name, max_pin="x.x") }}

Expand All @@ -30,7 +30,7 @@ about:
home: https://github.com/rcedgar/muscle
license: GPL-3.0-only
license_file: LICENSE
summary: "MUSCLE: multiple sequence alignment with high accuracy and high throughput"
summary: Multiple sequence and structure alignment with top benchmark scores scalable to thousands of sequences

extra:
additional-platforms:
Expand Down
14 changes: 7 additions & 7 deletions recipes/muscle/support-linux-aarch64.patch
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Original file line number Diff line number Diff line change
@@ -1,10 +1,10 @@
diff --git i/src/myutils.h w/src/myutils.h
index 49d28ef..8e8167e 100644
--- i/src/myutils.h
+++ w/src/myutils.h
@@ -11,7 +11,7 @@
#define TRACK_ALLOC 0
#define ALLOC_TOTALS 0
diff --git a/src/myutils.h b/src/myutils.h
index a5d8a58..fbf6f9f 100644
--- a/src/myutils.h
+++ b/src/myutils.h
@@ -10,7 +10,7 @@
#include <cstddef>
#include "myalloc.h"

-#if defined(__x86_64__) || defined(_M_X64) || defined(__arm64__)
+#if defined(__x86_64__) || defined(_M_X64) || defined(__arm64__) || defined(__aarch64__)
Expand Down
225 changes: 225 additions & 0 deletions recipes/muscle/vcxproj_make.py
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Original file line number Diff line number Diff line change
@@ -0,0 +1,225 @@
#!/usr/bin/env python

import argparse
import os
import sys

Usage = (
"Convert Visual Studio .vcxproj file in current directory to Makefile and run make."
)

AP = argparse.ArgumentParser(description=Usage)

# Value opts
AP.add_argument(
"--std",
required=False,
help="C++ standard option for GCC, e.g. c++11 or c++17 (default none)",
)
AP.add_argument(
"--cppcompiler",
required=False,
default="g++",
help="C++ compiler command name default g++)",
)
AP.add_argument(
"--ccompiler",
required=False,
default="gcc",
help="C++ compiler command name default gcc)",
)

# Flag opts
AP.add_argument("--debug", required=False, action="store_true", help="Debug build")
AP.add_argument("--openmp", required=False, action="store_true", help="Requires OMP")
AP.add_argument(
"--pthread", required=False, action="store_true", help="Requires pthread"
)
AP.add_argument("--lrt", required=False, action="store_true", help="Requires lrt")
AP.add_argument(
"--symbols",
required=False,
action="store_true",
help="Debug symbols (default if --debug)",
)
AP.add_argument(
"--nostrip",
required=False,
action="store_true",
help="Don't strip symbols (default if --debug or --symbols)",
)

Args = AP.parse_args()
debug = Args.debug
std = Args.std
cppcompiler = Args.cppcompiler
ccompiler = Args.ccompiler
nostrip = debug or Args.symbols
symbols = debug or Args.symbols

ProjFileName = None
HdrNames = []
for FileName in os.listdir("."):
if FileName.endswith(".vcxproj"):
ProjFileName = FileName
elif FileName.endswith(".h"):
HdrNames.append(FileName)
if ProjFileName is None:
sys.stderr.write("\nProject file not found in current directory\n")
sys.exit(1)

Comment on lines +60 to +70
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⚠️ Potential issue

Add safeguards for project file handling.

The current implementation has potential issues:

  1. It silently uses the last found .vcxproj file if multiple exist
  2. The file operations could be vulnerable to directory traversal
 ProjFileName = None
 HdrNames = []
 for FileName in os.listdir("."):
+    # Prevent directory traversal
+    if os.path.dirname(FileName):
+        continue
     if FileName.endswith(".vcxproj"):
+        if ProjFileName is not None:
+            sys.stderr.write("\nError: Multiple .vcxproj files found\n")
+            sys.exit(1)
         ProjFileName = FileName
     elif FileName.endswith(".h"):
+        if os.path.isfile(FileName):  # Ensure it's a regular file
             HdrNames.append(FileName)
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
ProjFileName = None
HdrNames = []
for FileName in os.listdir("."):
if FileName.endswith(".vcxproj"):
ProjFileName = FileName
elif FileName.endswith(".h"):
HdrNames.append(FileName)
if ProjFileName is None:
sys.stderr.write("\nProject file not found in current directory\n")
sys.exit(1)
ProjFileName = None
HdrNames = []
for FileName in os.listdir("."):
# Prevent directory traversal
if os.path.dirname(FileName):
continue
if FileName.endswith(".vcxproj"):
if ProjFileName is not None:
sys.stderr.write("\nError: Multiple .vcxproj files found\n")
sys.exit(1)
ProjFileName = FileName
elif FileName.endswith(".h"):
if os.path.isfile(FileName): # Ensure it's a regular file
HdrNames.append(FileName)
if ProjFileName is None:
sys.stderr.write("\nProject file not found in current directory\n")
sys.exit(1)

binary = ProjFileName.replace(".vcxproj", "")
sys.stderr.write("binary=" + binary + "\n")

compiler_opts = " -ffast-math -march=native"
linker_opts = " -ffast-math -march=native"
Comment on lines +74 to +75
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⚠️ Potential issue

Review compiler optimization flags for portability.

The hardcoded -march=native flag could cause issues in cross-compilation scenarios, particularly relevant for Bioconda packages that might need to support different architectures.

-compiler_opts = " -ffast-math -march=native"
-linker_opts = " -ffast-math -march=native"
+compiler_opts = " -ffast-math"
+linker_opts = " -ffast-math"
+# Only add native architecture optimizations if not cross-compiling
+if not os.getenv("CONDA_BUILD_CROSS_COMPILATION"):
+    compiler_opts += " -march=native"
+    linker_opts += " -march=native"
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
compiler_opts = " -ffast-math -march=native"
linker_opts = " -ffast-math -march=native"
compiler_opts = " -ffast-math"
linker_opts = " -ffast-math"
# Only add native architecture optimizations if not cross-compiling
if not os.getenv("CONDA_BUILD_CROSS_COMPILATION"):
compiler_opts += " -march=native"
linker_opts += " -march=native"


if std:
compiler_opts += " --std=" + std

if debug:
compiler_opts += " -O0 -DDEBUG"
linker_opts += " -O0"
else:
compiler_opts += " -O3 -DNDEBUG"
linker_opts += " -O3"

if symbols:
compiler_opts += " -g3"
linker_opts += " -g3"

if Args.openmp:
compiler_opts += " -fopenmp"
linker_opts += " -fopenmp"

if Args.pthread:
compiler_opts += " -pthread"
linker_opts += " -lpthread"

rc = os.system(r"rm -rf o/ ../bin/%s*" % binary)
if rc != 0:
sys.stderr.write("\n\nERROR -- failed to clean\n\n")
sys.exit(1)
sys.stderr.write("clean done.\n")

OBJDIR = "o"
BINDIR = "../bin"

Fields = ProjFileName.split("/")
n = len(Fields)
Name = Fields[n - 1]
Fields = Name.split(".")
binary = Fields[0]

Comment on lines +99 to +113
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⚠️ Potential issue

Use safer methods for directory operations.

The current implementation uses unsafe shell commands and lacks proper error handling for directory operations.

-rc = os.system(r"rm -rf o/ ../bin/%s*" % binary)
-if rc != 0:
-    sys.stderr.write("\n\nERROR -- failed to clean\n\n")
-    sys.exit(1)
+import shutil
+
+def safe_remove_dir(path):
+    try:
+        if os.path.exists(path):
+            shutil.rmtree(path)
+    except OSError as e:
+        sys.stderr.write(f"\n\nERROR -- failed to clean {path}: {e}\n\n")
+        sys.exit(1)
+
+safe_remove_dir("o")
+safe_remove_dir(os.path.join("..", "bin"))

Committable suggestion skipped: line range outside the PR's diff.

CXXNames = []
CNames = []
with open(ProjFileName) as File:
for Line in File:
Line = Line.strip()
Line = Line.replace('"', "")
Line = Line.replace(" ", "")
# <ClCompile Include="betadiv.cpp" />
if Line.startswith("<ClCompileInclude"):
Fields = Line.split("=")
if len(Fields) != 2:
continue
FileName = Fields[1]
FileName = FileName.replace("/>", "")
if FileName.endswith(".cpp"):
FileName = FileName.replace(".cpp", "")
CXXNames.append(FileName)
elif FileName.endswith(".c"):
FileName = FileName.replace(".c", "")
CNames.append(FileName)

assert len(CXXNames) > 0 or len(CNames) > 0
Comment on lines +114 to +135
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🛠️ Refactor suggestion

Use proper XML parsing for .vcxproj files.

The current string-based XML parsing is fragile and could break with different .vcxproj formats. Additionally, source file existence should be validated.

+import xml.etree.ElementTree as ET
+
 CXXNames = []
 CNames = []
-with open(ProjFileName) as File:
-    for Line in File:
-        Line = Line.strip()
-        Line = Line.replace('"', "")
-        Line = Line.replace(" ", "")
-        # <ClCompile Include="betadiv.cpp" />
-        if Line.startswith("<ClCompileInclude"):
-            Fields = Line.split("=")
-            if len(Fields) != 2:
-                continue
-            FileName = Fields[1]
-            FileName = FileName.replace("/>", "")
+try:
+    tree = ET.parse(ProjFileName)
+    root = tree.getroot()
+    for item in root.findall(".//ClCompile[@Include]"):
+        FileName = item.get("Include")
+        if not os.path.isfile(FileName):
+            sys.stderr.write(f"\nWarning: Source file {FileName} not found\n")
+            continue
         if FileName.endswith(".cpp"):
             FileName = FileName.replace(".cpp", "")
             CXXNames.append(FileName)
         elif FileName.endswith(".c"):
             FileName = FileName.replace(".c", "")
             CNames.append(FileName)
+except ET.ParseError as e:
+    sys.stderr.write(f"\nError parsing {ProjFileName}: {e}\n")
+    sys.exit(1)

Committable suggestion skipped: line range outside the PR's diff.


with open("Makefile", "w") as f:

def Out(s):
print(s, file=f)

BINPATH = "$(BINDIR)/%s" % (binary)

Out("######################################################")
Out("# Makefile is generated by " + sys.argv[0])
Out("# Don't edit the Makefile -- update the python script")
Out("######################################################")
Out("")
Out("BINDIR := %s" % BINDIR)
Out("OBJDIR := %s" % OBJDIR)
Out("BINPATH := %s" % BINPATH)

if CNames:
Out("")
Out("CC = " + ccompiler)
Out("CFLAGS := $(CFLAGS) " + compiler_opts)

if CXXNames:
Out("")
Out("CXX = " + cppcompiler)
Out("CXXFLAGS := $(CFLAGS) " + compiler_opts)

Out("")
Out("UNAME_S := $(shell uname -s)")
Out("LDFLAGS := $(LDFLAGS) " + linker_opts)
Out("ifeq ($(UNAME_S),Linux)")
Out(" LDFLAGS += -static")
Out("endif")

Out("")
Out("HDRS = \\")
for Name in sorted(HdrNames):
Out(" %s \\" % Name)

Out("")
Out("OBJS = \\")
for Name in CXXNames:
Out(" $(OBJDIR)/%s.o \\" % (Name))

for Name in CNames:
Out(" $(OBJDIR)/%s.o \\" % (Name))

Out("")
Out(".PHONY: clean")

Out("")
Out("$(BINPATH) : $(BINDIR)/ $(OBJDIR)/ $(OBJS)")

if len(CXXNames) > 0:
Cmd = "\t$(CXX) $(LDFLAGS) $(OBJS) -o $(BINPATH)"
else:
Cmd = "\t%(CC) $(LDFLAGS) $(OBJS) -o $(BINPATH)"

if Args.lrt:
Cmd += " -lrt"
Out(Cmd)

if not nostrip:
Out(" strip $(BINPATH)")

Out("")
Out("$(OBJDIR)/ :")
Out(" mkdir -p $(OBJDIR)/")

Out("")
Out("$(BINDIR)/ :")
Out(" mkdir -p $(BINDIR)/")

if CNames:
Out("")
Out("$(OBJDIR)/%.o : %.c $(HDRS)")
Out(" $(CC) $(CPPFLAGS) $(CFLAGS) -c -o $@ $<")

if CXXNames:
Out("")
Out("$(OBJDIR)/%.o : %.cpp $(HDRS)")
Out(" $(CXX) $(CPPFLAGS) $(CXXFLAGS) -c -o $@ $<")

Comment on lines +137 to +218
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⚠️ Potential issue

Enhance Makefile generation security and dependency tracking.

The current implementation has potential security issues with shell injection and could benefit from better dependency tracking.

-    BINPATH = "$(BINDIR)/%s" % (binary)
+    BINPATH = "$(BINDIR)/%s" % (shlex.quote(binary))

+    # Add automatic dependency generation for better rebuild handling
+    Out(".PRECIOUS: $(OBJDIR)/%.d")
+    Out("$(OBJDIR)/%.d: %.cpp")
+    Out("\t@set -e; rm -f $@; \\")
+    Out('\t$(CXX) -MM $(CPPFLAGS) $< > $@.$$$$; \\')
+    Out('\tsed \'s,\\($*\\)\\.o[ :]*,$(OBJDIR)/\\1.o $@ : ,g\' < $@.$$$$ > $@; \\')
+    Out("\trm -f $@.$$$$")

Committable suggestion skipped: line range outside the PR's diff.

sys.stderr.write("Makefile done.\n")

rc = os.system("make")
if rc != 0:
sys.stderr.write("\n\nERROR -- make failed\n\n")
sys.exit(1)
sys.stderr.write("make done.\n")
Comment on lines +221 to +225
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🛠️ Refactor suggestion

Improve build execution and error handling.

The current implementation doesn't capture build output and lacks proper signal handling.

+import subprocess
+import signal
+
+def signal_handler(signum, frame):
+    sys.stderr.write("\n\nInterrupted by signal %d\n" % signum)
+    sys.exit(1)
+
+signal.signal(signal.SIGINT, signal_handler)
+signal.signal(signal.SIGTERM, signal_handler)
+
-rc = os.system("make")
-if rc != 0:
-    sys.stderr.write("\n\nERROR -- make failed\n\n")
+try:
+    process = subprocess.run(["make"], capture_output=True, text=True)
+    sys.stderr.write(process.stdout)
+    sys.stderr.write(process.stderr)
+    if process.returncode != 0:
+        sys.stderr.write("\n\nERROR -- make failed\n\n")
+        sys.exit(process.returncode)
+except subprocess.CalledProcessError as e:
+    sys.stderr.write("\n\nERROR -- make failed: %s\n\n" % str(e))
     sys.exit(1)
-sys.stderr.write("make done.\n")
+except KeyboardInterrupt:
+    sys.stderr.write("\n\nInterrupted by user\n")
+    sys.exit(1)
+else:
+    sys.stderr.write("make done.\n")
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
rc = os.system("make")
if rc != 0:
sys.stderr.write("\n\nERROR -- make failed\n\n")
sys.exit(1)
sys.stderr.write("make done.\n")
import subprocess
import signal
def signal_handler(signum, frame):
sys.stderr.write("\n\nInterrupted by signal %d\n" % signum)
sys.exit(1)
signal.signal(signal.SIGINT, signal_handler)
signal.signal(signal.SIGTERM, signal_handler)
try:
process = subprocess.run(["make"], capture_output=True, text=True)
sys.stderr.write(process.stdout)
sys.stderr.write(process.stderr)
if process.returncode != 0:
sys.stderr.write("\n\nERROR -- make failed\n\n")
sys.exit(process.returncode)
except subprocess.CalledProcessError as e:
sys.stderr.write("\n\nERROR -- make failed: %s\n\n" % str(e))
sys.exit(1)
except KeyboardInterrupt:
sys.stderr.write("\n\nInterrupted by user\n")
sys.exit(1)
else:
sys.stderr.write("make done.\n")

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